N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide

C18H16F4N4O2S — CID 126633940

IUPACN-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide
SMILESCC1(C)C(N)=NC(c2cc(NC(=O)c3ncc(F)cc3F)cc(F)c2F)CS1=O
InChIInChI=1S/C18H16F4N4O2S/c1-18(2)17(23)26-13(7-29(18)28)10-4-9(5-11(20)14(10)22)25-16(27)15-12(21)3-8(19)6-24-15/h3-6,13H,7H2,1-2H3,(H2,23,26)(H,25,27)
InChIKeyIYEIQNSHYLRBIJ-UHFFFAOYSA-N
MW428.41 g/mol
LogP2.83
Rot. Bonds3

About N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide

N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide (PubChem CID 126633940) has the molecular formula C18H16F4N4O2S and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide
PubChem CID126633940
Molecular FormulaC18H16F4N4O2S
Molecular Weight428.41 g/mol
Exact Mass428.09
IUPAC NameN-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide
SMILESCC1(C)C(N)=NC(c2cc(NC(=O)c3ncc(F)cc3F)cc(F)c2F)CS1=O
InChIInChI=1S/C18H16F4N4O2S/c1-18(2)17(23)26-13(7-29(18)28)10-4-9(5-11(20)14(10)22)25-16(27)15-12(21)3-8(19)6-24-15/h3-6,13H,7H2,1-2H3,(H2,23,26)(H,25,27)
InChIKeyIYEIQNSHYLRBIJ-UHFFFAOYSA-N
XLogP2.83
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methylpyridine-2-carboxamide;methanamine
CID 144715703
N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide
CID 126634332
3-(5-amino-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine;ethane;methoxymethane
CID 144606503
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-3,5-difluoropyridine-2-carboxamide
CID 50991953
3,5-difluoro-N-methylpyridine-2-carboxamide
CID 58243777
N-[3-(5-amino-1-oxo-9-oxa-1λ4-thia-4-azaspiro[5.5]undec-4-en-3-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 144538900
N-[3-(3-amino-2-methyl-1-oxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide
CID 130394845
N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide
CID 90373417
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide
CID 123325978
N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide
CID 90373210
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3,5-difluoropyridine-2-carboxamide
CID 53235485
N-[3-[(1S,6R)-3-amino-8-oxa-4-thia-2-azabicyclo[4.3.1]dec-2-en-1-yl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide
CID 163524443

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide (CID 126633940) is N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide is CC1(C)C(N)=NC(c2cc(NC(=O)c3ncc(F)cc3F)cc(F)c2F)CS1=O.
What is the InChIKey of N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide?
The InChIKey is IYEIQNSHYLRBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O2S/c1-18(2)17(23)26-13(7-29(18)28)10-4-9(5-11(20)14(10)22)25-16(27)15-12(21)3-8(19)6-24-15/h3-6,13H,7H2,1-2H3,(H2,23,26)(H,25,27).
What are the key properties of N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide?
N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 126633940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).